Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C14H20O4 |
| Molecular Weight | 252.3062 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=C(O)C=C(C=C1)\C=C\C(O)C(C)(C)CO
InChI
InChIKey=VSFGLAGBXFFAHP-FNORWQNLSA-N
InChI=1S/C14H20O4/c1-14(2,9-15)13(17)7-5-10-4-6-12(18-3)11(16)8-10/h4-8,13,15-17H,9H2,1-3H3/b7-5+
| Molecular Formula | C14H20O4 |
| Molecular Weight | 252.3062 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 1 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:03:49 GMT 2023
by
admin
on
Sat Dec 16 19:03:49 GMT 2023
|
| Record UNII |
VE8986583K
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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VE8986583K
Created by
admin on Sat Dec 16 19:03:50 GMT 2023 , Edited by admin on Sat Dec 16 19:03:50 GMT 2023
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156596403
Created by
admin on Sat Dec 16 19:03:50 GMT 2023 , Edited by admin on Sat Dec 16 19:03:50 GMT 2023
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106174-94-1
Created by
admin on Sat Dec 16 19:03:50 GMT 2023 , Edited by admin on Sat Dec 16 19:03:50 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE INACTIVE |
<6.0mg; Recovery of Metabolite VII from urine after deglucuronization; urine was accumulated for 12hr after a single oral dose of 600mg (a single subject); Recovered metabolites total: 439.8mg
IN-VIVO
URINE
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